Geometry & MOs

Info

ID:	304188
PubChem CID:	124498454
Reduced:	N2O2S2C23H24 (1)
Stoich.:	A2B2C2D23E24 (1)
Weight, g/mol:	256.10342
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	4.61
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylsulfanyl-3-[(2S)-pyrrolidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C3=CN=C(C=C3)SC4=CC=CC=C4

DOS

IR

Vibrations